Glycine → (3-{2,5-Dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-2-yloxy]-phenyl}-propionylamino)-acetic acid

HRID 1147051Notes

Reaction equation

HRID 1147051 reaction equation
[CH2:60]([N:61]([CH:62]([CH3:63])[CH3:64])[CH:65]([CH3:66])[CH3:67])[CH3:68].[Cl:1][c:2]1[c:3]([CH2:31][CH2:32][C:33](=[O:34])[OH:35])[cH:4][c:5]([Cl:30])[c:6]([O:8][c:9]2[n:10][cH:11][cH:12][cH:13][c:14]2[C:15](=[O:16])[N:17]2[CH2:18][CH2:19][N:20]([CH:27]3[CH2:28][CH2:29]3)[c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]32)[cH:7]1.[NH2:69][CH2:70][C:71]([OH:72])=[O:73].[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[Cl:1][c:2]1[c:3]([CH2:31][CH2:32][C:33](=[O:34])[NH:69][CH2:70][C:71]([OH:72])=[O:73])[cH:4][c:5]([Cl:30])[c:6]([O:8][c:9]2[n:10][cH:11][cH:12][cH:13][c:14]2[C:15](=[O:16])[N:17]2[CH2:18][CH2:19][N:20]([CH:27]3[CH2:28][CH2:29]3)[c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]32)[cH:7]1

Participants

7

Reactant 6

HCID 750GlycineHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 592944963-{2,5-Dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-2-yloxy]-phenyl}-propionic acid

Product 1

HCID 59294535(3-{2,5-Dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-2-yloxy]-phenyl}-propionylamino)-acetic acid

Sources & evidence

ORD record
ord-558ac0bd85c24b2a930f4d6ca10bf1d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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